Acetonitrile → HCID 178458692, compound

HRID 1200391Notes

Reaction equation

HRID 1200391 reaction equation
[C:38]([CH3:39])([CH3:40])([CH3:41])[O:42][C:43]([NH:44][CH:45]([CH2:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[CH:53]1[O:54][CH2:55]1)=[O:56].[CH2:20]([CH:21]=[CH2:22])[O:23][CH:24]1[CH2:25][CH:26]([NH2:37])[c:27]2[cH:28][c:29]([O:33][CH:34]([CH3:35])[CH3:36])[cH:30][cH:31][c:32]21.[CH3:63][C:64]#[N:65].[Cl+3:57]([O-:58])([O-:59])([O-:60])[O-:61].[F:1][C:2]([F:3])([F:4])[C:5]([NH:6][CH:7]1[c:8]2[c:9]([cH:10][cH:11][c:12]([O:13][CH3:14])[cH:15]2)[C:16](=[O:17])[CH2:18]1)=[O:19].[Li+:62]>>[CH2:20]([CH:21]=[CH2:22])[O:23][CH:24]1[CH2:25][CH:26]([NH:37][CH2:55][CH:53]([CH:45]([NH:44][C:43]([O:42][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:56])[CH2:46][c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[OH:54])[c:27]2[cH:28][c:29]([O:33][CH:34]([CH3:35])[CH3:36])[cH:30][cH:31][c:32]21

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 28486Lithium ionHCID 123351PerchlorateHCID 38382832,2,2-trifluoro-N-(6-methoxy-3-oxo-2,3-dihydro-1H-inden-1-yl)acetamideHCID 4571240tert-Butyl (1-(oxiran-2-yl)-2-phenylethyl)carbamateHCID 178458607HCID 178458607, compound

Product 1

HCID 178458692HCID 178458692, compound

Sources & evidence

ORD record
ord-7844fc5eaea646f7a4aec9c3a9d400a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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